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Home > Nitro Compounds > 77698-19-2
77698-19-2 | 2-Butanone,1,1'-(nitrosoimino)bis-
CAS No: 77698-19-2 Catalog No: AG005GJJ MDL No:
Product Description
Catalog Number:
AG005GJJ
Chemical Name:
2-Butanone,1,1'-(nitrosoimino)bis-
CAS Number:
77698-19-2
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
IUPAC Name:
N,N-bis(2-oxobutyl)nitrous amide
InChI:
InChI=1S/C8H14N2O3/c1-3-7(11)5-10(9-13)6-8(12)4-2/h3-6H2,1-2H3
InChI Key:
QSZKSGSXMHZCEF-UHFFFAOYSA-N
SMILES:
CCC(=O)CN(CC(=O)CC)N=O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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